General Information of the Compound
| Compound ID |
CP0362792
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| Compound Name |
N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[5-methyl-4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide
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| Structure |
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| Formula |
C29H35N7O2
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| Molecular Weight |
513.646
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| Canonical SMILES |
COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(C)c(n1)-c1cn(C)c2ccccc12
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| InChI |
InChI=1S/C29H35N7O2/c1-8-27(37)31-22-15-23(26(38-7)16-25(22)35(5)14-13-34(3)4)32-29-30-17-19(2)28(33-29)21-18-36(6)24-12-10-9-11-20(21)24/h8-12,15-18H,1,13-14H2,2-7H3,(H,31,37)(H,30,32,33)
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| InChIKey |
FCHHBDZWKNCHCB-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound